4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine

C14H16N6 — CID 741604

IUPAC4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)n2ncnc2n1
InChIInChI=1S/C14H16N6/c1-10-8-13(20-14(17-10)15-9-16-20)18-11-4-6-12(7-5-11)19(2)3/h4-9,18H,1-3H3
InChIKeyAQFRDGYKYGIVMY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.24
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine (PubChem CID 741604) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine
PubChem CID741604
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)n2ncnc2n1
InChIInChI=1S/C14H16N6/c1-10-8-13(20-14(17-10)15-9-16-20)18-11-4-6-12(7-5-11)19(2)3/h4-9,18H,1-3H3
InChIKeyAQFRDGYKYGIVMY-UHFFFAOYSA-N
XLogP2.24
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine (CID 741604) is 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine is Cc1cc(Nc2ccc(N(C)C)cc2)n2ncnc2n1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine?
The InChIKey is AQFRDGYKYGIVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10-8-13(20-14(17-10)15-9-16-20)18-11-4-6-12(7-5-11)19(2)3/h4-9,18H,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine is sourced from PubChem (CID 741604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).